easybuilders/easybuild easybuild-v5.3.1 on GitHub

EasyBuild v5.3.1 is primarily a bugfix & update release, but it also includes several minor enhancements.

Highlights for this release are listed below.

More details are available in the detailed release notes which includes links to the respective pull requests for more detailed information.

Highlighted enhancements & updates

(enhancements or updates that (may) warrant updating existing installations are marked with (***))

add support for --include-job-backends and --avail-job-backends;
one new software-specific easyblock, for ESPResSo;
enhance PythonPackage easyblock to limit ulimit stack size when unlimited;
enhance custom easyblock for OpenMPI to add ROCm support;
add Arm support to NAMD easyblock;
update test command in custom easyblock for scipy easyblock for scipy >= 1.17;
add easyconfigs for ROCm-based (sub)toolchains: rocm-compilers/19.0.0-ROCm-6.4.1, rompi/2025a;
add easyconfigs for update of (sub)toolchains based on LLVM + MPICH: lmpich/2026.1, lmpflf/2026.1;
(***) add additional capabilities to Qt6 6.9.3 w/ GCCcore/14.3.0 by adding extra dependencies;

(bug fixes or changes that (may) warrant re-installing easyconfigs are marked with (***))

fix duplicate counting of download progress of sources files;
make custom easyblocks for GROMACS and netcdf4-python compatible with --sanity-check-only;
(***) make sure that RPATH section for binaries in Rust 1.90.0+ installation includes path to runtime libraries of GCC compiler;
(***) fix incorrect plugins path in ABAQUS easyblock, which fixes long startup times;
(***) update GROMACS easyconfigs to build with gmxapi distributed with GROMACS source code;
(***) patch RStudio to correctly set $R_HOME when calculating $LD_LIBRARY_PATH;
add alternate checksum for NAMD 3.0.2 (source tarball was changed in place upstream);
add alternate checksums for various R packages included in R-bundle-CRAN or R-bundle-Bioconductor,
because their source tarballs was changed upstream (usually without code changes);
fix compatibility with newer glibc and GCC for GCCcore 14.2.0, 14.3.0, and 15.2.0;

Support for installing 96 new software packages has been added, including (but not limited to):

and various ROCm components like HIP, hipBLAS, hipFFT, hipTensor, RCCL, rocBLAS, rocFFT, rocm-core, rocSOLVER, rocSPARSE, etc.

This brings the total number of supported software packages to 3,091 (excluding extensions)!

Various software updates have been added, including (but not limited to):

An up-to-date list of supported software is available here

These changes result from various contributions, made by 26 different contributors:

Thanks to everyone who contributed to this release in one way or another!

To upgrade to EasyBuild v5.3.1, there are several options.
Two particularly easy options include: